N-(diphenylmethyl)-12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide

Systemtic Name: N-(diphenylmethyl)-12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Openeye Name: N-benzhydryl-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide CAS Name: N-(diphenylmethyl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide IUPAC Name: N-benzhydryl-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Traditional Name: N-benzhydryl-12-keto-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Formula: C27H25N3O2 MolecularWeight: 423.5063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=C(C=CC(=C3)C(=O)NC(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)N2CC1

Isomeric SMILES

C1CCC2=NC3=C(C=CC(=C3)C(=O)NC(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)N2CC1

InChI

InChI=1S/C27H25N3O2/c31-26(29-25(19-10-4-1-5-11-19)20-12-6-2-7-13-20)21-15-16-22-23(18-21)28-24-14-8-3-9-17-30(24)27(22)32/h1-2,4-7,10-13,15-16,18,25H,3,8-9,14,17H2,(H,29,31)